cansyl / MDeePred
Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery
☆27Updated 3 years ago
Alternatives and similar repositories for MDeePred:
Users that are interested in MDeePred are comparing it to the libraries listed below
- ☆17Updated 4 years ago
- ☆38Updated 4 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆71Updated 11 months ago
- Model to predict kinase-ligand pKi values.☆12Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated 11 months ago
- ☆34Updated 3 years ago
- ☆31Updated last year
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆51Updated last month
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆41Updated last year
- ☆29Updated 4 years ago
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Updated 3 years ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆41Updated 2 years ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆79Updated 4 years ago
- An unofficial re-implementation of AntiBERTy, an antibody-specific protein language model, in PyTorch.☆24Updated last year
- Paratope Prediction using Deep Learning☆59Updated last year
- ☆20Updated 2 years ago
- A Python 3 version of the protein descriptor package propy☆41Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 6 months ago
- PyTorch implementation of Parapred (Liberis et al., 2018) with Paratyping (Richardson et al., 2021)☆19Updated last year
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆24Updated 3 years ago
- ☆28Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆49Updated 2 years ago
- GraphSite: protein-DNA binding site prediction using graph transformer and predicted protein structures☆59Updated 8 months ago
- Biosynthesis Navigator for Natural Products☆44Updated 2 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year